| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:16 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | CC(=O)OC(CCC(=O)c1ccccc1)C(=O)O |
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| InChI Key | DCVGMECFJKHEOO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidbutyrophenonearomatic homomonocyclic compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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